Tropisetron - Moligand™, ≥99% , Antagonist of 5-HT 3A;Antagonist of 5-HT 4 receptor;Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit, CAS No.89565-68-4, Antagonist of 5-HT 3A;Antagonist of 5-HT 4 receptor;Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit

CAS: 89565-68-4 Cat. No.: T127885 Molecular Weight: 284.35 PubChem CID: 656665

GRADE & PURITY Moligand™, ≥99%

Synonyms

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate | TROPISETRON [WHO-DD] | Tropisteron | HY-B0072 | NCGC00015984-04 | PDSP2_000764 | Tropisetronum [INN-Latin] | 1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-YL INDOLE-3-CARBOXYLATE | 6I819NIK1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

[(1R, 5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate | TROPISETRON [WHO-DD] | Tropisteron | HY-B0072 | NCGC00015984-04 | PDSP2_000764 | Tropisetronum [INN-Latin] | 1.ALPHA.H, 5.ALPHA.H-TROPAN-3.ALPHA.-YL INDOLE-3-CARBOXYLATE | 6I819NIK1

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Tropisetron (SDZ-ICS-930 free base) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM Target: 5-HT3 receptor in vitro: Tropisetron specifically inhibited

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 3A;Antagonist of 5-HT 4 receptor;Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504759784
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759784
• Canonical Smiles: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43
• IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
• InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N
• INCHI: 1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43
• PubChem CID: 656665
• Molecular Weight: 284.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Tropane alkaloids Indoles Pyrrole carboxylic acids and derivatives Benzenoids Substituted pyrroles Piperidines N-alkylpyrrolidines Vinylogous amides Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Indole - Tropane alkaloid - Pyrrole-3-carboxylic acid or derivatives - Piperidine - Benzenoid - N-alkylpyrrolidine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GLRA2 Tchem Glycine receptor subunit alpha-2 (1 Activities)

Discover Target: GLRA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR4 Tclin 5-hydroxytryptamine receptor 4 (2 Activities)

Discover Target: HTR4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (4 Activities)

Discover Target: HTR3A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GLRA1 Tclin Glycine receptor subunit alpha-1 (1 Activities)

Discover Target: GLRA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GLRB Tclin Glycine receptor subunit beta (1 Activities)

Discover Target: GLRB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (351.68 mM)；H2O : ≥ 55 mg/mL (193.42 mM)
• Molecular Weight: 284.350 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 284.152 Da
• Monoisotopic Mass: 284.152 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1